Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.62 |
| ▸ | HTR6 | P50406 | 1/20 | 0.58 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.55 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Methylphenylsulfone SCHEMBL78253 | 1.00 | PTGS2 (0.62) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL5499087 | 0.97 | PTGS2 (0.60) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL28046614 | 0.94 | PTGS2 (0.58) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL28158010 | 0.94 | PTGS2 (0.58) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL28288198 | 0.94 | PTGS2 (0.58) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL28097901 | 0.94 | PTGS2 (0.58) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL11698567 | 0.92 | PTGS2 (0.56) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL27930437 | 0.92 | PTGS2 (0.56) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL1925243 | 0.92 | ALDH1A1 (0.59) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| SCHEMBL17936671 | 0.89 | HTR6 (0.70) | PTGS2HTR6ENPP2ALDH1A1SMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |